SCHEMBL6730587

SCHEMBL6730587

COc1ccc(C[C@H](N)[C@H](O)[C]=O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.54
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51
LDHA P00338 1/20 0.51
POLB P06746 1/20 0.49
LTA4H P09960 1/20 0.43
ACACB O00763 1/20 0.43
DPP4 P27487 1/20 0.41
FAP Q12884 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
IDO1 P14902 1/20 0.41
AGXT P21549 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11405363 0.84 SLC6A4 (0.54) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL19143522 0.81 SLC6A4 (0.63) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL2265778 0.80 SLC6A4 (0.61) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL2265781 0.80 SLC6A4 (0.61) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL7294911 0.80 SLC6A4 (0.61) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL6580781 0.78 SLC15A1 (0.51) SLC6A4CYP1A2ANPEPTAAR1
SCHEMBL6243841 0.78 SLC15A1 (0.51) SLC6A4CYP1A2ANPEPTAAR1
SCHEMBL11025286 0.78 SLC15A1 (0.51) SLC6A4CYP1A2ANPEPTAAR1
SCHEMBL7871920 0.77 LDHA (0.65) SLC6A4CYP1A2CYP2D6CYP2C19LDHA
SCHEMBL6730589 0.77 SLC6A4 (0.54) SLC6A4CYP1A2CYP2D6CYP2C19LDHA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6673772-B2 INHIBITING THE ENZYMATIC ACTIVITY OF HIV PROTEASE SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2004-01-06 US disclosed
US-20020049165-A1 Novel dipeptide compounds and their use as medicines DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2002-04-25 US disclosed
EP-1157997-A1 NOVEL DIPEPTIDE COMPOUND AND MEDICINAL USE THEREOF JAPAN ENERGY CORPORATION (JP) 2001-11-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020049165-A1 Novel dipeptide compounds and their use as medicines DNPEP, PEPD, ANPEP SLC6A4 2944/4885CYP1A2 3118/4885CYP2D6 839/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.